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25906-66-5

25906-66-5 Structure

25906-66-5 Structure
IdentificationBack Directory
[Name]

2,5-dimercaptoterephthalic acid
[CAS]

25906-66-5
[Synonyms]

JACS-25906-66-5
2,5-Dimercaptoterephthalsure
2,5-dimercaptoterephthalic acid
2,5-Disulfanylterephthalic acid
2,5-bis(sulfanyl)terephthalic acid
2,5-DISULFANYLBENZENE-1,4-DICARBOXYLIC ACID
2,5-Dimercapto-1,4-benzenedicarboxylic acid
1 2,5-dimercapto-,4-benzenedicarboxylic acid
2,5-disulfhydrylbenzene-1,4-dicarboxylic acid
1,4-Benzenedicarboxylic acid, 2,5-dimercapto-
[EINECS(EC#)]

247-330-3
[Molecular Formula]

C8H6O4S2
[MDL Number]

MFCD23160366
[MOL File]

25906-66-5.mol
[Molecular Weight]

230.26
Chemical PropertiesBack Directory
[Boiling point ]

468.7±45.0 °C(Predicted)
[density ]

1.648±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C, stored under nitrogen
[pka]

2.59±0.36(Predicted)
[Appearance]

Light yellow to yellow Solid
[InChI]

InChI=1S/C8H6O4S2/c9-7(10)3-1-5(13)4(8(11)12)2-6(3)14/h1-2,13-14H,(H,9,10)(H,11,12)
[InChIKey]

YYGZWQNDFRCZIF-UHFFFAOYSA-N
[SMILES]

C1(C(O)=O)=CC(S)=C(C(O)=O)C=C1S
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H312-H332
[Precautionary statements ]

P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

2,5-Dimercaptoterephthalic acid can be used as a ligand to coordinate with Zr(IV) to prepare thiol-functionalized Zr-DMBD MOFs. This material, loaded onto three-dimensional macroporous carbon, forms an electrochemical sensor integrating removal and detection, used for the sensitive determination of mercury ions in wastewater.
[Synthesis]

2,5-Dimercaptoterephthalic acid is mainly prepared by saponification reaction of S,S-dithiocarbamate with potassium hydroxide by heating.
[References]

[1] Field, L., & Engelhardt, P. R. (1970). Organic disulfides and related substances. XXX. Preparations and reactions of mercaptoterephthalic acids and derivatives. The Journal of Organic Chemistry, 35 11, 3647–3655. https://doi.org/10.1021/jo00836a012
[2] Yang, H., Peng, C., Han, J., Song, Y., &amp; Wang, L. (2020). Three-dimensional macroporous Carbon/Zr-2,5-dimercaptoterephthalic acid metal-organic frameworks nanocomposites for removal and detection of Hg(II). <i>Sensors and Actuators B: Chemical</i>, <i>320</i>, Article 128447. https://doi.org/10.1016/j.snb.2020.128447
Spectrum DetailBack Directory
[Spectrum Detail]

2,5-dimercaptoterephthalic acid(25906-66-5)1HNMR
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